4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione

C8H8N4O2 — CID 15262111

IUPAC4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione
SMILESCc1nc(N)c2c(n1)C(=O)N(C)C2=O
InChIInChI=1S/C8H8N4O2/c1-3-10-5-4(6(9)11-3)7(13)12(2)8(5)14/h1-2H3,(H2,9,10,11)
InChIKeyWQSWCBXPYJXIGH-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.41
Rot. Bonds

About 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione

4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione (PubChem CID 15262111) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione
PubChem CID15262111
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione
SMILESCc1nc(N)c2c(n1)C(=O)N(C)C2=O
InChIInChI=1S/C8H8N4O2/c1-3-10-5-4(6(9)11-3)7(13)12(2)8(5)14/h1-2H3,(H2,9,10,11)
InChIKeyWQSWCBXPYJXIGH-UHFFFAOYSA-N
XLogP-0.41
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione?
The IUPAC name of 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione (CID 15262111) is 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione.
What is the SMILES notation for 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione?
The canonical SMILES for 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione is Cc1nc(N)c2c(n1)C(=O)N(C)C2=O.
What is the InChIKey of 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione?
The InChIKey is WQSWCBXPYJXIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-3-10-5-4(6(9)11-3)7(13)12(2)8(5)14/h1-2H3,(H2,9,10,11).
What are the key properties of 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione?
4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione has a molecular weight of 192.18 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethylpyrrolo[3,4-d]pyrimidine-5,7-dione is sourced from PubChem (CID 15262111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).